SCHEMBL4261702

SCHEMBL4261702

O=C(O)OC1=CS[C@@H]2/C(=C\c3cn4c5c(sc4n3)CCCC5)C(=O)N12

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
GFER P55789 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4259319 0.98 NPC1 (0.35) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL4255587 0.88
SCHEMBL3592809 0.86 NPC1 (0.39) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL3582105 0.86 NPC1 (0.39) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL3592807 0.86 NPC1 (0.39) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL3587333 0.84
SCHEMBL3587330 0.84
SCHEMBL2929407 0.84
SCHEMBL14491531 0.83
SCHEMBL5138241 0.80

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499622-B1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS WYETH CORP (US) 2009-03-11 EP claimed